1C9D
CRYSTAL STRUCTURE OF THE COMPLEX OF BACTERIAL TRYPTOPHAN SYNTHASE WITH THE TRANSITION STATE ANALOGUE INHIBITOR 4-(2-HYDROXY-4-FLUOROPHENYLTHIO)-BUTYLPHOSPHONIC ACID
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 140 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-01-15 |
| Detector | RIGAKU RAXIS IIC |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 184.220, 60.520, 67.790 |
| Unit cell angles | 90.00, 94.43, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.300 |
| R-factor | 0.215 |
| Rwork | 0.211 |
| R-free | 0.26900 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.710 |
| Data reduction software | DENZO |
| Data scaling software | CCP4 ((TRUNCATE)) |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.900 | 2.400 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.073 | 0.173 * |
| Total number of observations | 95281 * | |
| Number of reflections | 31780 | |
| <I/σ(I)> | 14.26 | |
| Completeness [%] | 95.2 * | 79.6 * |
| Redundancy | 2.1 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 7.8 | 295 | 12% PEG 4000, 0.75MM SPERMINE, 50MM SODIUM BICINE, 1MM EDTA, 5MM DTT, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 5-10 (mg/ml) | |
| 2 | 1 | drop | inhibitor | 1 (mM) | |
| 3 | 1 | reservoir | Bicine | 50 (mM) | |
| 4 | 1 | reservoir | NaEDTA | 1 (mM) | |
| 5 | 1 | reservoir | spermine | 0.8-1.5 (mM) | |
| 6 | 1 | reservoir | PEG4000 | 12 (%) |
